2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone

C15H21N3O2 — CID 72846355

IUPAC2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(C(c1cccnc1)N1CCOCC1)N1CCCC1
InChIInChI=1S/C15H21N3O2/c19-15(18-6-1-2-7-18)14(13-4-3-5-16-12-13)17-8-10-20-11-9-17/h3-5,12,14H,1-2,6-11H2
InChIKeyRTJKTTXWZSOTDT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.08
Rot. Bonds3

About 2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone

2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone (PubChem CID 72846355) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone
PubChem CID72846355
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(C(c1cccnc1)N1CCOCC1)N1CCCC1
InChIInChI=1S/C15H21N3O2/c19-15(18-6-1-2-7-18)14(13-4-3-5-16-12-13)17-8-10-20-11-9-17/h3-5,12,14H,1-2,6-11H2
InChIKeyRTJKTTXWZSOTDT-UHFFFAOYSA-N
XLogP1.08
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone (CID 72846355) is 2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone is O=C(C(c1cccnc1)N1CCOCC1)N1CCCC1.
What is the InChIKey of 2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone?
The InChIKey is RTJKTTXWZSOTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(18-6-1-2-7-18)14(13-4-3-5-16-12-13)17-8-10-20-11-9-17/h3-5,12,14H,1-2,6-11H2.
What are the key properties of 2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone?
2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone has a molecular weight of 275.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-pyridin-3-yl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 72846355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).